2-[[4-ethyl-5-(3-methoxy-1-methyl-pyrazol-4-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)ethanamide

Systemtic Name: 2-[[4-ethyl-5-(3-methoxy-1-methyl-pyrazol-4-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)ethanamide Openeye Name: 2-[[4-ethyl-5-(3-methoxy-1-methyl-pyrazol-4-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)acetamide CAS Name: 2-[[4-ethyl-5-(3-methoxy-1-methyl-4-pyrazolyl)-1,2,4-triazol-3-yl]thio]-N-(4-nitrophenyl)acetamide IUPAC Name: 2-[[4-ethyl-5-(3-methoxy-1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)acetamide Traditional Name: 2-[[4-ethyl-5-(3-methoxy-1-methyl-pyrazol-4-yl)-1,2,4-triazol-3-yl]thio]-N-(4-nitrophenyl)acetamide Formula: C17H19N7O4S MolecularWeight: 417.44226

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C3=CN(N=C3OC)C

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C3=CN(N=C3OC)C

InChI

InChI=1S/C17H19N7O4S/c1-4-23-15(13-9-22(2)21-16(13)28-3)19-20-17(23)29-10-14(25)18-11-5-7-12(8-6-11)24(26)27/h5-9H,4,10H2,1-3H3,(H,18,25)